AsPt3
AsPt3 is a metallic platinum-arsenic alloy that serves as a subject of study for its structural complexity and potential utility in catalytic material design.
About AsPt3
AsPt3 is a metallic intermetallic compound composed of arsenic and platinum. As a member of the platinum-group alloy family, it is characterized by its conductive electronic nature, which is typical for dense, transition-metal-rich phases used in catalytic research.
While this compound exhibits significant structural diversity across various databases, it is identified as being thermodynamically metastable. This unique stability profile makes it a subject of interest for researchers investigating phase formation and the kinetic pathways of platinum-based alloys in specialized chemical environments.
Key Properties
Cross-validated computational properties for AsPt3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for AsPt3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2420 | -42.278 | 17.00 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2505 | -42.270 | 16.95 |
| P1 (No. 1) | Triclinic | — | — | — | 18.95 |
| — | — | — | — | — | 16.99 |
| C2 (No. 5) | Monoclinic | — | — | — | 16.00 |
| P1 (No. 1) | Triclinic | — | — | — | 13.35 |
| P1 (No. 1) | Triclinic | — | — | — | 11.31 |
| Pnma (No. 62) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 15.44 |
Applications
Where AsPt3 is used.
Frequently Asked Questions
Common questions about AsPt3, answered from cross-validated data.
What is AsPt3?
AsPt3 is a metallic platinum-arsenic alloy that serves as a subject of study for its structural complexity and potential utility in catalytic material design.
What is AsPt3 used for?
What is the band gap of AsPt3?
Is AsPt3 a metal, semiconductor, or insulator?
Is AsPt3 thermodynamically stable?
What is the crystal structure of AsPt3?
What is the density of AsPt3?
How many polymorphs of AsPt3 are known?
What elements does AsPt3 contain?
Where does the data for AsPt3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, AsPt3 shares a metallic character with compounds like P3Ru and As2Ir, yet it occupies a distinct position due to its specific stoichiometry and metastable thermodynamic state. Unlike more stable members of the group, AsPt3 represents a complex structural phase that highlights the diverse bonding configurations possible when combining platinum with p-block elements.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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